Sugi Predict

Sugi Predict / Compounds / SCHEMBL5735883

SCHEMBL5735883

SCHEMBL5735883

c1ccc2cc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.63
▸ PAK4 O96013 9/20 0.62
▸ TGFBR1 P36897 1/20 0.60
▸ ROCK2 O75116 6/20 0.59
▸ NPY5R Q15761 2/20 0.53
▸ ROCK1 Q13464 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3582538 0.93 ULK1 (0.66) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3579380 0.90 ULK1 (0.62) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3579029 0.89 PIN1 (0.60) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3590277 0.89 NPY5R (0.67) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3583297 0.89 ULK1 (0.61) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3585093 0.88 ULK1 (0.60) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3581297 0.87 ULK1 (0.59) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3577758 0.87 ULK1 (0.59) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3577599 0.86 KDR (0.62) ULK1PAK4TGFBR1ROCK2NPY5R
SCHEMBL3575384 0.85 SMO (0.57) ULK1PAK4TGFBR1ROCK2NPY5R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 — — EP claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 — — EP disclosed